Compiling VASP 5.4.4.pl2 with intel oneapi 2025

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
roman_malyshev
Newbie
Newbie
Posts: 4
Joined: Tue Sep 08, 2020 11:07 am

Compiling VASP 5.4.4.pl2 with intel oneapi 2025

#1 Post by roman_malyshev » Wed Jan 01, 2025 2:47 am

I recently reinstalled my Linux workstation to a more recent Ubuntu version as the previous one was reaching end of support and had many bugs making some functionality unusable. I had to install the most recent (2025) version of intel oneapi base toolkit and hpc toolkit, as older ones are no longer available. I tried recompiling VASP 5.4.4.pl2, which is still the version I work wirh, checked that the makefile.include points to correct folders in the new toolkit and got an error that "ifort" is an unknown command. Turns out, intel has stopped including ifort and only includes ifx, which offloads some work to the GPU. I have not seen anything about this error in the wiki. Are there any workarounds for recompiling VASP with the most recent intel toolkits?


Post Reply